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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Polymers in Lithium‐Ion and Lithium Metal Batteries

Abstract Lithium‐ion batteries play a significant role in modern electronics and electric vehicles. However, current Li‐ion battery chemistries are unable to satisfy the increasingly heightened expectations regarding energy demand and reliability. To boost the overall energy density while ensuring the safety of Li batteries, researchers have focused on alternative battery materials, such as silicon, sulfur, and Li metal. These represent promising avenues, although numerous obstacles (e.g., Si cracking, polysulfide shuttling, Li dendrites, etc.) must be tackled before batteries based on these materials can enter mass production and penetrate the mainstream market. Polymers are a class of materials that are widely used in current battery systems; however, many novel polymer chemistries may offer better performance and reliability than the current ones, and even overcome the issues of the above‐mentioned new battery materials. In this review, selected polymeric materials for solving these issues are categorized into four parts: polymer electrolytes, polymer artificial solid‐electrolyte interphases, binders, and separators. Both the current progress and the characterization methods are included. Potential future directions of energy materials research are pointed out as well.

Li, Junheng↗
DOE OSTI2012

A facile electron microscopy method for measuring precipitate volume fractions in AlCuMg alloys

Precipitate volume fraction is an important parameter to estimate the strength of precipitation-hardened metals. In this study, a facile method was applied to measure the precipitate volume fractions in an age-hardened AlCuMg alloy. In this method, the precipitate volume fraction values can be obtained by multiplying the volume precipitate number densities with the averaged precipitate volumes, which can be easily measured in scanning electron microscopy and transmission electron microscopy, respectively. Compared with the conventional method, in which the specimen thickness has to be measured in transmission electron microscopy, the method proposed in this study is more facile to perform. - Highlights: Black-Right-Pointing-Pointer We have proposed a facile method to measure precipitate volume fractions for precipitation-hardened metals. Black-Right-Pointing-Pointer This technique works well for the square-shaped {theta} Prime -phase nano-precipitates in 2xxx aluminum alloys. Black-Right-Pointing-Pointer Interesting is that the proposed method is easy for materials scientists and engineers to perform.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Presence of Induced Weak Ferromagnetism in Fe-Substituted YFe x Cr 1–x O 3 Crystalline Compounds

Fe-substituted YFe x Cr 1–x O 3 crystalline compounds show promising magnetic and multiferroic properties. Here we report the synthesis and characterization of several compositions from this series. Using the autocombustion route, various compositions (x = 0.25, 0.50, 0.6, 0.75, 0.9, and 1) were synthesized as high-quality crystalline powders. In order to obtain microscopic and atomic information about their structure and magnetism, characterization was performed using room temperature X-ray diffraction and energy dispersion analysis as well as temperature-dependent neutron diffraction, magnetometry, and 57 Fe Mössbauer spectrometry. Rietveld analysis of the diffraction data revealed a crystallite size of 84 (8) nm for YFeO 3 , while energy dispersion analysis indicated compositions close to the nominal compositions. The magnetic results suggested an enhancement of the weak ferromagnetism for the YFeO 3 phase due to two contributions. First, a high magnetocrystalline anisotropy was associated with the crystalline character that favored a unique high canting angle of the antiferromagnetic phase (13°), as indicated by the neutron diffraction analysis. This was also evidenced by the high magnetic hysteresis curves up to 90 kOe by a remarkable high critical coercivity value of 46.7 kOe at room temperature. Second, the Dzyaloshinskii–Moriya interactions between homogenous and heterogeneous magnetic pairs resulted from the inhomogeneous distribution of Fe 3+ and Cr 3+ ions, as indicated by 57 Fe Mössbauer studies. Together, these results point to new methods of controlling the magnetic properties of these materials.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Manufacturing unique glasses in space

An air suspension melting technique is described for making glasses from substances which to date have been observed only in the crystalline condition. A laminar flow vertical wind tunnel was constructed for suspending oxide melts that were melted using the energy from a carbon dioxide laser beam. By this method it is possible to melt many high-melting-point materials without interaction between the melt and crucible material. In addition, space melting permits cooling to suppress crystal growth. If a sufficient amount of under cooling is accompanied by a sufficient increase in viscosity, crystallization will be avoided entirely and glass will result.

Happe, R. P.↗
NASA NTRS1981

Determination of principal stress in birefringent composites by hole-drilling method

The application of transmission photoelasticity to stress analysis of composite materials is discussed.The method consists in drilling very small holes at points where the state of stress has to be determined. Experiments are described which verify the theoretical predicitons. The limitations of the method are discussed and it is concluded that valuable information concerning the state of stress in a composite model can be obtained through the suggested method.

Prabhakaran, R.↗
NASA NTRS2000

Cylindrical Optic Polishing Dwell Time Optimization

The Constellation-X x-ray telescope consists of replicated grazing incidence optics. The polishing of the "master' mandrel is accomplished by moving a polishing tool along a helical path on the surface of this almost cylindrical surface. The measurement of the surface is, however, performed along "axial" scan lines which intercept this helical path. This approach to polishing and measuring permits a relatively simple scheme to be implemented for the determination of the optimal dwell times of the polishing tool. These optimal dwell times are determined by a deconvolution which approaches the problem as a linear programming problem and uses the simplex method. This approach maximizes the amount of material removed at any point subject to inequality constraints. The effects of using these "optimum" dwell times is to significantly improve the "tools" effectiveness at removing the higher spatial frequencies while staying (strictly) within the bounds and constraints imposed by the hardware. In addition the "ringing" at the edges of the optic, frequently present in deconvolution problems, is completely eliminated.

Waluschka, Eugene↗
NASA NTRS2000

Cylindrical Optic Figuring and Dwell Time Optimization

Grazing incidence x-ray telescopes consist of surfaces which are nearly cylindrical in shape. The abrasive figuring of these surfaces is accomplished by moving a grinding tool along a helical path on this almost cylindrical surface. The measurement of the surface is, however, performed along "axial" scan lines which intercept this helical path. This approach to figuring and measuring permits a relatively simple scheme to be implemented for the determination of the optimal dwell times of the figuring tool. These optimal dwell times are determined by a deconvolution which approaches the problem in a linear programming context and uses the Simplex Method. The approach maximizes the amount of material removed at any point subject to inequality constraints. The effect of using these ''optimum" dwell times is to significantly improve the tools effectiveness at removing the higher spatial frequencies while staying (strictly) within the bounds and constraints imposed by the hardware. In addition, the ringing at the edges of the optic, frequently present in deconvolution problems, is completely eliminated.

Waluschka, Eugene↗
NASA NTRS2012

Computational Implementation of a Thermodynamically Based Work Potential Model For Progressive Microdamage and Transverse Cracking in Fiber-Reinforced Laminates

A continuum-level, dual internal state variable, thermodynamically based, work potential model, Schapery Theory, is used capture the effects of two matrix damage mechanisms in a fiber-reinforced laminated composite: microdamage and transverse cracking. Matrix microdamage accrues primarily in the form of shear microcracks between the fibers of the composite. Whereas, larger transverse matrix cracks typically span the thickness of a lamina and run parallel to the fibers. Schapery Theory uses the energy potential required to advance structural changes, associated with the damage mechanisms, to govern damage growth through a set of internal state variables. These state variables are used to quantify the stiffness degradation resulting from damage growth. The transverse and shear stiffness of the lamina are related to the internal state variables through a set of measurable damage functions. Additionally, the damage variables for a given strain state can be calculated from a set of evolution equations. These evolution equations and damage functions are implemented into the finite element method and used to govern the constitutive response of the material points in the model. Additionally, an axial failure criterion is included in the model. The response of a center-notched, buffer strip-stiffened panel subjected to uniaxial tension is investigated and results are compared to experiment.

Pineda, Evan J.↗
NASA NTRS2014

Remote Recession Sensing of Ablative Heat Shield Materials

Tests were performed to demonstrate the feasibility of a new method of measuring surface recession of a material sample during arc-jet testing in the NASA Ames mARC subscale developmental facility. The measurement principle was inspired through tracer elements such as Ca and Na which were seen in the spectra taken during the airborne observation campaign of the Stardust re-entry and which could be clearly observed standing out against the emission spectra emitted by postshock layer and glowing surface of the re-entry capsule. The measurement principle involves seeding of the heat shield materials at a defined depth with tracer elements which show strong and characteristic emission lines in the post shock plasma. Once the material recession reaches the seeding depth, these elements get into the hot plasma and show up in the emission spectra. The methodology was successfully demonstrated during arc-jet testing of phenolic impregnated carbonablator (PICA) material which was seeded in depth with a mixture of NaCl and MgCl in powder form. In the emission spectroscopy data, the emission lines of Mg and Na showed up about 1.5 seconds after probe insertion into the arc-jet plasma and vanished after another 2.5 seconds when recessionhad consumed the seeding material. From these data, a recession rate of about 1 mm/s is estimated.The heat flux during the test was measured to be 2575 W/sq cm on a hemispherical heat flux probewhich corresponds to a heat flux of 1036 W/sq cm on the rectangular test articles. An estimate for a lower limit of the surface temperature of 2800K during the test was obtained by fitting Planck radiation to the continuum spectra emitted by the PICA sample. Typical recession rates of PICA during testing in the large arc-jet facilities at similar test conditions are reported to be on the order of 0.05 to 0.1 cm/s which agrees well with the recession rates of 0.05-0.06 cm/s estimated from the emission spectroscopy data. Further tests under better controlled conditions are suggested to quantify this measurement method. Through a different choice of seeding materials with lower melting point, an extension of the measurement principle to monitor char depth seems feasible but was not yet demonstrated. Possible applications besides ground testing are recession and possibly char depth measurements during real re-entry. Detection through emission spectroscopy could be accomplished through ground based or airborne observation as performed during the Stardust and Hayabusa re-entries, or through on-board spectrometers. A suitable mission would be the re-entryof the OSIRIS-REX mission planned for late 2023. The measured data are presented and interpreted, the results and details of future applications are discussed.

instrumentation↗
DOE OSTI2018

A Novel Approach for Monitoring Plastic Flow Localization during In-Situ Sem Testing of Small-Scale Samples

A novel method is proposed for monitoring the plastic flow localization during in-situ scanning electron microscopy (SEM) testing of small-scale AISI 316 L stainless steel. Stress-strain behavior of the material was obtained using a hybrid numerical-experimental (HNE) approach. By repeatedly illustrating each pair of sequentially taken SEM surface images throughout the deformation history in alternating order in form of a video, location of the material points which are not moving during the deformation can be detected. At the initial stages of deformation these points are located on the geometrical symmetry line of the test sample, however; when uniform straining limit of the material is reached, the locations of the stationary material points reveal the plastic localization regions. The current results clearly prove the feasibility of the presented method in monitoring primary plastic localization events through in-situ SEM tensile testing.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Method for Thermal Spraying of Coatings Using Resonant-Pulsed Combustion

A method has been devised for high-volume, high-velocity surface deposition of protective metallic coatings on otherwise vulnerable surfaces. Thermal spraying is used whereby the material to be deposited is heated to the melting point by passing through a flame. Rather than the usual method of deposition from the jet formed from the combustion products, this innovation uses non-steady combustion (i.e. high-frequency, periodic, confined bursts), which generates not only higher temperatures and heat transfer rates, but exceedingly high impingement velocities an order of magnitude higher than conventional thermal systems. Higher impingement rates make for better adhesion. The high heat transfer rates developed here allow the deposition material to be introduced, not as an expensive powder with high surface-area-to-volume, but in convenient rod form, which is also easier and simpler to feed into the system. The nonsteady, resonant combustion process is self-aspirating and requires no external actuation or control and no high-pressure supply of fuel or air. The innovation has been demonstrated using a commercially available resonant combustor shown in the figure. Fuel is naturally aspirated from the tank through the lower Tygon tube and into the pulsejet. Air for starting is ported through the upper Tygon tube line. Once operation commences, this air is no longer needed as additional air is naturally aspirated through the inlet. A spark plug on the device is needed for starting, but the process carries on automatically as the operational device is resonant and reignites itself with each 220-Hz pulse.

Paxson, Daniel E.↗
DOE OSTI2015

Energy Materials Center at Cornell: Final Report

The mission of the Energy Materials Center at Cornell (emc 2 ) was to achieve a detailed understanding, via a combination of synthesis of new materials, experimental and computational approaches, of how the nature, structure, and dynamics of nanostructured interfaces affect energy conversion and storage with emphasis on fuel cells, batteries and supercapacitors. Our research on these systems was organized around a full system strategy for; the development and improved performance of materials for both electrodes at which storage or conversion occurs; understanding their internal interfaces, such as SEI layers in batteries and electrocatalyst supports in fuel cells, and methods for structuring them to enable high mass transport as well as high ionic and electronic conductivity; development of ion-conducting electrolytes for batteries and fuel cells (separately) and other separator components, as needed; and development of methods for the characterization of these systems under operating conditions (operando methods) Generally, our work took industry and DOE report findings of current materials as a point of departure to focus on novel material sets for improved performance. In addition, some of our work focused on studying existing materials, for example observing battery solvent degradation, fuel cell catalyst coarsening or monitoring lithium dendrite growth, employing in operando methods developed within the center.

08 HYDROGEN↗
DOE OSTI2023

High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications

Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals with a-posteriori corrections to more computationally intensive hybrid functional approaches. For applications of DFT-based high-throughput computation for data-driven materials discovery, point defect properties are of interest, yet are currently excluded from available materials databases. This work presents a benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We consider three different a-posteriori correction sets implemented in an automated workflow, and evaluate the qualitative and quantitative differences among four different categories of defect information: thermodynamic transition levels, formation energies, Fermi levels, and dopability limits. We highlight qualitative information that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Ultra-Light Ultra-Strong Proppants

The present invention provides a method of preparing a proppant material by heating a reaction mixture comprising a plurality of oxides in a reactive atmosphere to a temperature above the melting point of the reaction mixture to form a melt, and then allowing the melt to solidify in a mold in the form of spherical particles. The present invention also provides a method of preparing a proppant material by heating a reaction mixture comprising a plurality of oxides and one or more additives in a reactive atmosphere to a temperature below the melting point of the reaction mixture to form a powder including one or more reaction products, and then processing the powder to form spherical particles. The present invention also provides a proppant material including spherical particles characterized by a specific gravity of about 1.0 to 3.0 and a crush strength of at least about 10,000 psi.

Ravi, Vilupanur A.↗
DOE OSTI2011

Rapid microwave synthesis of indium filled skutterudites: An energy efficient route to high performance thermoelectric materials

Graphical abstract: Filled skutterudites are promising thermoelectric materials. We report the microwave assisted synthesis of CoSb{sub 3} and In{sub 0.2}Co{sub 4}Sb{sub 12}. This method reduces the calcination time for skutterudite phase formation from 2 days to 2 min, thereby significantly reducing the time and energy needed to produce materials suitable for property and device testing. Highlights: Black-Right-Pointing-Pointer The microwave assisted solid state synthesis of CoSb{sub 3} and In{sub 0.2}Co{sub 4}Sb{sub 12} is reported. Black-Right-Pointing-Pointer This method allows the calcination time to be reduced from 2 days to 2 min. Black-Right-Pointing-Pointer Physical properties of microwave samples match those prepared conventionally. -- Abstract: Filled skutterudites are promising thermoelectric materials due to reduced thermal conductivity upon inserting a guest atom or 'rattler' into the CoSb{sub 3} structure. By using an indium rattler dimensionless Figure of Merit (ZT) values >1 at 650 K have been reported. The conventional synthesis of these compounds typically takes several days ({approx}3 days) to obtain the final well-sintered material for property measurements. We report here a microwave-assisted synthesis method that reduces the initial calcination time from 2 days to 2 min. This route significantly reduces the time needed to produce materials suitable for property and device testing.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Molecular dynamics simulations of damage production by thermal spikes in Ge

Molecular dynamics simulation techniques are used to analyze damage production in Ge by the thermal spike process and to compare the results to those obtained for Si. As simulation results are sensitive to the choice of the inter-atomic potential, several potentials are compared in terms of material properties relevant for damage generation, and the most suitable potentials for this kind of analysis are identified. A simplified simulation scheme is used to characterize, in a controlled way, the damage generation through the local melting of regions in which energy is deposited. Our results show the outstanding role of thermal spikes in Ge, since the lower melting temperature and thermal conductivity of Ge make this process much more efficient in terms of damage generation than in Si. The study is extended to the modeling of full implant cascades, in which both collision events and thermal spikes coexist. Our simulations reveal the existence of bigger damaged or amorphous regions in Ge than in Si, which may be formed by the melting and successive quenching induced by thermal spikes. In the particular case of heavy ion implantation, defect structures in Ge are not only bigger, but they also present a larger net content in vacancies than in Si, which may act as precursors for the growth of voids and the subsequent formation of honeycomb-like structures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Lagrangian Material Tracers (LMT) for Simulating Material Damage in ALEGRA

A method for providing non-diffuse transport of material quantities in arbitrary Lagrangian-Eulerian (ALE) dynamic solid mechanics computations is presented. ALE computations are highly desirable for simulating dynamic problems that incorporate multiple materials and large deformations. Despite the advantages of using ALE for such problems, the method is associated with diffusion of material quantities due to the advection transport step of the computational cycle. This drawback poses great difficulty for applications of material failure for which discrete features are important, but are smeared out as a result of the diffusive advection operation. The focus of this work is an ALE method that incorporates transport of variables on discrete, massless points that move with the velocity field, referred to as Lagrangian material tracers (LMT), and consequently prevents diffusion of certain material quantities of interest. A detailed description of the algorithm is provided along with discussion of its computational aspects. Simulation results include a simple proof of concept, verification using a manufactured solution, and fragmentation of a uniformly loaded thin ring that clearly demonstrates the improvement offered by the ALE LMT method.

36 MATERIALS SCIENCE↗